(1R)-1-cyclohexylbut-3-yn-1-ol

C10H16O — CID 11094829

IUPAC(1R)-1-cyclohexylbut-3-yn-1-ol
SMILESC#CC[C@@H](O)C1CCCCC1
InChIInChI=1S/C10H16O/c1-2-6-10(11)9-7-4-3-5-8-9/h1,9-11H,3-8H2/t10-/m1/s1
InChIKeyKDDLRGNXIZNNJO-SNVBAGLBSA-N
MW152.24 g/mol
LogP1.95
Rot. Bonds2

About (1R)-1-cyclohexylbut-3-yn-1-ol

(1R)-1-cyclohexylbut-3-yn-1-ol (PubChem CID 11094829) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R)-1-cyclohexylbut-3-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-cyclohexylbut-3-yn-1-ol
PubChem CID11094829
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R)-1-cyclohexylbut-3-yn-1-ol
SMILESC#CC[C@@H](O)C1CCCCC1
InChIInChI=1S/C10H16O/c1-2-6-10(11)9-7-4-3-5-8-9/h1,9-11H,3-8H2/t10-/m1/s1
InChIKeyKDDLRGNXIZNNJO-SNVBAGLBSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexylbut-3-yn-1-ol?
The IUPAC name of (1R)-1-cyclohexylbut-3-yn-1-ol (CID 11094829) is (1R)-1-cyclohexylbut-3-yn-1-ol.
What is the SMILES notation for (1R)-1-cyclohexylbut-3-yn-1-ol?
The canonical SMILES for (1R)-1-cyclohexylbut-3-yn-1-ol is C#CC[C@@H](O)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexylbut-3-yn-1-ol?
The InChIKey is KDDLRGNXIZNNJO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O/c1-2-6-10(11)9-7-4-3-5-8-9/h1,9-11H,3-8H2/t10-/m1/s1.
What are the key properties of (1R)-1-cyclohexylbut-3-yn-1-ol?
(1R)-1-cyclohexylbut-3-yn-1-ol has a molecular weight of 152.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexylbut-3-yn-1-ol is sourced from PubChem (CID 11094829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).